Task 38683781

Name test_962-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3527_0
Workunit 31625326
Created 27 Oct 2026, 13:19:02 UTC
Sent 27 Oct 2026, 13:19:08 UTC
Report deadline 1 Nov 2026, 13:19:08 UTC
Received 27 Oct 2026, 13:48:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 28 min 54 sec
CPU time 27 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.55 MB
Peak swap size 13.03 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:19:56 (5352): wrapper (7.9.26016): starting
14:19:56 (5352): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:19:57 (5352): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:19:57 (5352): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:48:07 (5352): C:/Windows/system32/cmd.exe exited; CPU time 1642.312500
14:48:07 (5352): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 22363875 bytes.
Dumping objects ->
{3835235} normal block at 0x0000011A0CBFF230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000011A0CBFF8C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000011A0CBFFEE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x0000011A0CBFF770, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000011A0AE64E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x0000011A0CC75980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000011A0CC8E420, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835146} normal block at 0x0000011A0AE5EAC0, 8 bytes long.
 Data: <  &#155;     > 00 00 9B 0C 1A 01 00 00 
{3834542} normal block at 0x0000011A0CC8E790, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000011A0AE5EE80, 8 bytes long.
 Data: < 8&#205;     > 80 38 CD 0C 1A 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000011A0AE613A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000011A0AE55F30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000011A0AE656B0, 16 bytes long.
 Data: <xf&#230;             > 78 66 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000011A0AE660B0, 16 bytes long.
 Data: <Pf&#230;             > 50 66 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000011A0AE5FBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000011A0AE65ED0, 16 bytes long.
 Data: <(f&#230;             > 28 66 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000011A0AE65610, 16 bytes long.
 Data: < f&#230;             > 00 66 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000011A0AE65CA0, 16 bytes long.
 Data: <&#216;e&#230;             > D8 65 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000011A0AE65D40, 16 bytes long.
 Data: <&#176;e&#230;             > B0 65 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000011A0AE64B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000011A0AE65FC0, 16 bytes long.
 Data: <h&#231;&#229;             > 68 E7 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000011A0AE5FB50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000011A0AE655C0, 16 bytes long.
 Data: <@&#231;&#229;             > 40 E7 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000011A0AE65430, 16 bytes long.
 Data: < &#231;&#229;             > 18 E7 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011A0AE65E80, 16 bytes long.
 Data: <&#240;&#230;&#229;             > F0 E6 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000011A0AE65DE0, 16 bytes long.
 Data: <&#200;&#230;&#229;             > C8 E6 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000011A0AE65660, 16 bytes long.
 Data: <&#160;&#230;&#229;             > A0 E6 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000011A0AE661F0, 16 bytes long.
 Data: <x&#230;&#229;             > 78 E6 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000011A0AE60330, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000011A0AE653E0, 16 bytes long.
 Data: <P&#230;&#229;             > 50 E6 E5 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000011A0AE5E650, 320 bytes long.
 Data: <&#224;S&#230;     0 &#230;     > E0 53 E6 0A 1A 01 00 00 30 03 E6 0A 1A 01 00 00 
{276} normal block at 0x0000011A0AE65E30, 16 bytes long.
 Data: < e&#230;             > 90 65 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011A0AE65390, 16 bytes long.
 Data: <he&#230;             > 68 65 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000011A0AE60690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000011A0AE65890, 16 bytes long.
 Data: <@e&#230;             > 40 65 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000011A0AE5F850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000011A0AE662E0, 16 bytes long.
 Data: < d&#230;             > 88 64 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000011A0AE66100, 16 bytes long.
 Data: <`d&#230;             > 60 64 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000011A0AE65840, 16 bytes long.
 Data: <8d&#230;             > 38 64 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000011A0AE65700, 16 bytes long.
 Data: < d&#230;             > 10 64 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000011A0AE65A70, 16 bytes long.
 Data: <&#232;c&#230;             > E8 63 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000011A0AE65570, 16 bytes long.
 Data: <&#192;c&#230;             > C0 63 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000011A0AE66010, 16 bytes long.
 Data: <&#192;L&#230;             > C0 4C E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000011A0AE64CC0, 40 bytes long.
 Data: < `&#230;      Y&#199;     > 10 60 E6 0A 1A 01 00 00 80 59 C7 0C 1A 01 00 00 
{262} normal block at 0x0000011A0AE65930, 16 bytes long.
 Data: <&#160;c&#230;             > A0 63 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000011A0AE657F0, 16 bytes long.
 Data: <xc&#230;             > 78 63 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000011A0AE5FF10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000011A0AE65B60, 16 bytes long.
 Data: <Pc&#230;             > 50 63 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000011A0AE66350, 992 bytes long.
 Data: <`[&#230;      &#255;&#229;     > 60 5B E6 0A 1A 01 00 00 10 FF E5 0A 1A 01 00 00 
{94} normal block at 0x0000011A0AE60450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000011A0AE5F6F0, 16 bytes long.
 Data: <&#176;I&#230;             > B0 49 E6 0A 1A 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000011A0AE649B0, 40 bytes long.
 Data: <&#240;&#246;&#229;     P &#230;     > F0 F6 E5 0A 1A 01 00 00 50 04 E6 0A 1A 01 00 00 
{71} normal block at 0x0000011A0AE5F5B0, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000011A0AE5EE30, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000011A0AE5EA70, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000011A0AE5F010, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000011A0AE5F290, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000011A0AE5F3D0, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000011A0AE5E930, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000011A0AE5F1A0, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000011A0AE5F150, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000011A0AE5F240, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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